2-[2-(dichloroamino)phenyl]acetic acid

C8H7Cl2NO2 — CID 140981743

IUPAC2-[2-(dichloroamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1N(Cl)Cl
InChIInChI=1S/C8H7Cl2NO2/c9-11(10)7-4-2-1-3-6(7)5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyXQCIJJUMIRRKOW-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.43
Rot. Bonds3

About 2-[2-(dichloroamino)phenyl]acetic acid

2-[2-(dichloroamino)phenyl]acetic acid (PubChem CID 140981743) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is 2-[2-(dichloroamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(dichloroamino)phenyl]acetic acid
PubChem CID140981743
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name2-[2-(dichloroamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1N(Cl)Cl
InChIInChI=1S/C8H7Cl2NO2/c9-11(10)7-4-2-1-3-6(7)5-8(12)13/h1-4H,5H2,(H,12,13)
InChIKeyXQCIJJUMIRRKOW-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

CID 172781001
CID 172781001
CID 172781038
CID 172781038
carbonic acid;N,N,2-trichloroaniline
CID 175495912
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
CID 83820596
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)acetic acid
CID 12557642
2-[3-(dimethylamino)-2-methylphenyl]acetic acid
CID 155670062
azane;2-(2-ethylphenyl)acetic acid
CID 70384426
2-(2-methylphenyl)acetic acid
CID 67440217
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dichloroamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(dichloroamino)phenyl]acetic acid (CID 140981743) is 2-[2-(dichloroamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(dichloroamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(dichloroamino)phenyl]acetic acid is O=C(O)Cc1ccccc1N(Cl)Cl.
What is the InChIKey of 2-[2-(dichloroamino)phenyl]acetic acid?
The InChIKey is XQCIJJUMIRRKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c9-11(10)7-4-2-1-3-6(7)5-8(12)13/h1-4H,5H2,(H,12,13).
What are the key properties of 2-[2-(dichloroamino)phenyl]acetic acid?
2-[2-(dichloroamino)phenyl]acetic acid has a molecular weight of 220.06 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dichloroamino)phenyl]acetic acid is sourced from PubChem (CID 140981743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).